LMPR0106210002
  LIPID_MAPS_STRUCTURE_DATABASE

 33 37  0     0  0            999 V2000
    7.6563    8.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6563    7.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5407    6.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4249    7.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4249    8.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5407    9.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3092    6.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1935    7.4910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1935    8.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3092    9.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0778    9.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0778   10.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1935   10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3092   10.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0301    6.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0511    6.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4249    9.5331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9621    8.5120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8464    9.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8464   10.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9621   10.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0778    8.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6053   10.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1899   11.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1744   11.5529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6040   10.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9196    9.5434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2873   11.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6214    9.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0778   11.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7720    6.9804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9621    9.6607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4589    6.8211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  5 17  1  1  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 12  1  0  0  0  0
 11 22  1  6  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 21  1  0  0  0  0
 23 26  1  1  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 20 29  1  1  0  0  0
 12 30  1  1  0  0  0
  2 31  1  1  0  0  0
 21 32  1  6  0  0  0
  4 33  1  6     0  0
M  END
> <LM_ID>
LMPR0106210002

> <COMMON_NAME>
Adriaticol

> <SYSTEMATIC_NAME>


> <FORMULA>
C30H50O

> <MASS>
426.39

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C30 isoprenoids (triterpenes) [PR0106]

> <CLASS_LEVEL4>
Arborinane and stictane triterpenoids [PR010621]

> <SYNONYMS>


> <INCHI_KEY>
LUZUHPHTXSGDDD-KEAUXLFPSA-N

> <INCHI>
InChI=1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h19-20,23-25,31H,9-18H2,1-8H3/t20-,23-,24-,25-,27+,28-,29-,30+/m0/s1

> <SMILES>
C1C[C@]2(C)C3CC[C@]4(C)[C@@]5([H])CC[C@@H](C(C)C)[C@]5(C)CC[C@@]4(C)C=3CC[C@@]2([H])C(C)(C)[C@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171116480

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
446681

> <CITATION>
28028245

$$$$